CID 485810

4-[5-(6-(2-imidazolin-2-yl)benzimidazol-2-yl)benzimidazol-2-yl]phenol

Structural Information

Molecular Formula
C23H18N6O
SMILES
C1CN=C(N1)C2=CC3=C(C=C2)N=C(N3)C4=CC5=C(C=C4)N=C(N5)C6=CC=C(C=C6)O
InChI
InChI=1S/C23H18N6O/c30-16-5-1-13(2-6-16)22-26-17-8-4-15(12-20(17)28-22)23-27-18-7-3-14(11-19(18)29-23)21-24-9-10-25-21/h1-8,11-12,30H,9-10H2,(H,24,25)(H,26,28)(H,27,29)
InChIKey
ZAPRETAYXJIYFV-UHFFFAOYSA-N
Compound name
4-[6-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

394.1542 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.16148 187.3
[M+Na]+ 417.14342 197.9
[M-H]- 393.14692 192.7
[M+NH4]+ 412.18802 194.9
[M+K]+ 433.11736 187.5
[M+H-H2O]+ 377.15146 177.2
[M+HCOO]- 439.15240 200.8
[M+CH3COO]- 453.16805 195.5
[M+Na-2H]- 415.12887 186.9
[M]+ 394.15365 185.9
[M]- 394.15475 185.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.